4J5X

Crystal Structure of the SR12813-bound PXR/RXRalpha LBD Heterotetramer Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	70.090, 120.300, 175.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.646 - 2.800
R-factor	0.2479
Rwork	0.245
R-free	0.29770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.966
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_1037)

Data quality characteristics

	Overall
Low resolution limit [Å]	99.279
High resolution limit [Å]	2.735
Number of reflections	40105

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277.15	16-20% PEG 8000, 0.1-0.2 M MgCl, 0.1 M bis-tris proprane, 0.02% sodium azide, pH 7.0, vapor diffusion, hanging drop, temperature 277.15K